Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C15H27N3O3/c1-13(19)18(11-7-5-9-16)12-8-6-10-17-14(20)21-15(2,3)4/h5-8,10-12H2,1-4H3,(H,17,20)
SMILES N#CCCCN(C(=O)C)CCCCNC(=O)OC(C)(C)C
InChI Key FBRIJCOFDMDXDB-UHFFFAOYSA-N
Molecular Formula C15H27N3O3
Exact Mass 297.393 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FBRIJCOFDMDXDB-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FBRIJCOFDMDXDB-UHFFFAOYSA-N/CHMO0000593
Version
Author Michael Mertens
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:55:30.926812
MetadataModified 2025-01-29T16:47:20.062353
MetadataPublished 2024-12-03
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
temperature : 297.9 K

PULPROG : zg30

number of scans : 16 scans

Title : Mertens

Date : 20240307

Starting time : 12.08 h

instrument : spect

label : MWM-65

id : 128171

Solvent used for referencing : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.